EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220535 - Austalide M

ChEBI IDCHEBI:220535
ChEBI NameAustalide M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O9
Net Charge0
Average Mass504.576
Monoisotopic Mass504.23593
SMILESCOc1c2c(c(C)c3c1[C@@H](OC)[C@H]1[C@](C)(C[C@@H](O)[C@]45O[C@](OC)(CC[C@]14C)OC5(C)C)O3)COC2=O
InChIInChI=1S/C27H36O9/c1-13-14-12-33-22(29)16(14)19(30-6)17-18(13)34-25(5)11-15(28)27-23(2,3)35-26(32-8,36-27)10-9-24(27,4)21(25)20(17)31-7/h15,20-21,28H,9-12H2,1-8H3/t15-,20-,21-,24-,25+,26+,27-/m1/s1
InChIKeyOMVDEMLRFJDVFO-VGMMAMMESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Austalide M (CHEBI:220535) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,2R,4S,15S,16S,17R,20S)-2-hydroxy-13,15,20-trimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Manual XrefsDatabases
28185032ChemSpider